1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol

C12H14Cl2O — CID 106798312

IUPAC1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol
SMILESCC(O)C1(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H14Cl2O/c1-8(15)12(4-5-12)7-9-2-3-10(13)6-11(9)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyIPRSGBCDKCEESQ-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.70
Rot. Bonds3

About 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol

1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol (PubChem CID 106798312) has the molecular formula C12H14Cl2O and a molecular weight of 245.15 g/mol. Its IUPAC name is 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol
PubChem CID106798312
Molecular FormulaC12H14Cl2O
Molecular Weight245.15 g/mol
Exact Mass244.04
IUPAC Name1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol
SMILESCC(O)C1(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C12H14Cl2O/c1-8(15)12(4-5-12)7-9-2-3-10(13)6-11(9)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyIPRSGBCDKCEESQ-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]-N-methylethanamine
CID 106797533
1-[1-[(2,3-dichlorophenyl)methyl]cyclopropyl]ethanol
CID 107309473
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanone
CID 82293557
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65424709
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449760
2-[[1-(1-bromoethyl)cyclopropyl]methyl]-4-chloro-1-fluorobenzene
CID 106798672
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
3-[(2,4-dichlorophenyl)methyl]oxetan-3-ol
CID 164649438
3-[(2,4-dichlorophenyl)methyl]-4,4-dimethylthian-3-ol
CID 79955546
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 65154379

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol?
The IUPAC name of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol (CID 106798312) is 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol?
The canonical SMILES for 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol is CC(O)C1(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol?
The InChIKey is IPRSGBCDKCEESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O/c1-8(15)12(4-5-12)7-9-2-3-10(13)6-11(9)14/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol?
1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol has a molecular weight of 245.15 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-dichlorophenyl)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 106798312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).